2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine

C14H18N2O4 — CID 82489230

IUPAC2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine
SMILESCOc1cc(-c2nc(CCN)co2)cc(OC)c1OC
InChIInChI=1S/C14H18N2O4/c1-17-11-6-9(7-12(18-2)13(11)19-3)14-16-10(4-5-15)8-20-14/h6-8H,4-5,15H2,1-3H3
InChIKeyVATPJOMHHXBLHM-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.87
Rot. Bonds6

About 2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine

2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 82489230) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine
PubChem CID82489230
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine
SMILESCOc1cc(-c2nc(CCN)co2)cc(OC)c1OC
InChIInChI=1S/C14H18N2O4/c1-17-11-6-9(7-12(18-2)13(11)19-3)14-16-10(4-5-15)8-20-14/h6-8H,4-5,15H2,1-3H3
InChIKeyVATPJOMHHXBLHM-UHFFFAOYSA-N
XLogP1.87
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82479428
2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96666077
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 22692340
2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethanol
CID 18515724
3-[methyl-[[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]amino]propanenitrile
CID 56666934
4-(isocyanomethyl)-2-(4-methoxyphenyl)-1,3-oxazole;2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethanamine
CID 160657238
2-[2-(4-ethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96662741
4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56665003
4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56669146
2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008116
N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 56661925

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine (CID 82489230) is 2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine is COc1cc(-c2nc(CCN)co2)cc(OC)c1OC.
What is the InChIKey of 2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is VATPJOMHHXBLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-17-11-6-9(7-12(18-2)13(11)19-3)14-16-10(4-5-15)8-20-14/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine?
2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine has a molecular weight of 278.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 82489230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).